N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C18H20N6O — CID 86974365

IUPACN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCCn1cnnc1C1CC1
InChIInChI=1S/C18H20N6O/c25-17(19-8-9-23-13-20-22-18(23)15-6-7-15)10-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,11-13,15H,6-10H2,(H,19,25)
InChIKeyMVGIJNYYOHXORN-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 86974365) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID86974365
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCCn1cnnc1C1CC1
InChIInChI=1S/C18H20N6O/c25-17(19-8-9-23-13-20-22-18(23)15-6-7-15)10-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,11-13,15H,6-10H2,(H,19,25)
InChIKeyMVGIJNYYOHXORN-UHFFFAOYSA-N
XLogP1.70
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]acetamide
CID 157038001
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
2-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242498
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 86974365) is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCCn1cnnc1C1CC1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MVGIJNYYOHXORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-17(19-8-9-23-13-20-22-18(23)15-6-7-15)10-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,11-13,15H,6-10H2,(H,19,25).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86974365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).